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Ligand · T8S

T8S · 1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide

T8S, 1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide (C12 H22 N2 O2, 226.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
T8S
Formula
C12 H22 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

T8S in 2 structures; the first of them:

  • 5RFY · PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in… · T8S A404 · binds THR25, THR26, LEU27, HIS41, CYS44, THR45, SER46, MET49 and 6 more
  • 5RFY · Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in… · T8S A404 · binds THR25, HIS41, CYS44, THR45, SER46, MET49, ASN142, GLY143 and 2 more

Residues it binds most

THR 2, CYS 2, SER 2, HIS 2, ASN 2, GLY 2, LEU 1, MET 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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